Basic information
- Standard SMILES
N#CCCCCCCS(=O)[O-].[Na+]- InChIKey
OTTFBPYZYMFEAU-UHFFFAOYSA-M- Molecular formula
- C7H12NNaO2S
- Average molar mass
- 197.23 g/mol
Names & identifiers
- Preferred name
- 6-Cyanohexane-l-sulfinic acid sodium salt
- IUPAC
- sodium 6-cyanohexane-1-sulfinate
Names & synonyms
SCHEMBL7165168OTTFBPYZYMFEAU-UHFFFAOYSA-M6-cyanohexane-l-sulfinic acid sodium salt6-cyanohexane-1-sulfinic acid sodium salt
Database identifiers
- PubChem CID
- 88103705
Properties
Computed structural properties
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Related reactions
3 records
Compound notes
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